2026-10-14T13:13:30Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33847888 2026-09-16T12:47:11Z portal_1197 item_type_3 month_year_09_2026

Data for Kinetic control of competing nuclei in a dimer lattice-gas model Dipanjan Mandal (24958228) David Quigley (1367631) Nucleation Lattice gas Monte Carlo method Migrated from ePrints Nucleation is a key step in the synthesis of new material from solution. Well-established lattice-gas models can be used to gain insight into the basic physics of nucleation pathways involving a single nucleus type. In many situations a solution is supersaturated with respect to more than one precipitating phase. This can generate a population both stable and metastable nuclei on similar timescales and hence complex nucleation pathways involving competition between the two. In this study we introduce a lattice-gas model based on two types of interacting dimer representing particles in solution. Each type of dimer nucleates to a specific space-filling structure. Our model is tuned such that stable and metastable phases nucleate on a similar timescale. Either structure may nucleate first, with probability sensitive to dimer mobility. We calculate these nucleation rates via Forward-Flux Sampling and demonstrate how the resulting data can be used to infer the nucleation outcome and pathway. Possibilities include direct nucleation of the stable phase, domination of long-lived metastable crystallites, and pathways in which the stable phase nucleates only after multiple post-critical nuclei of the metastable phase have appeared.<br><br>Data files and corresponding gnuplot script files (*.gnu) for each figure is available in the respective folders fig3-7. All plots were produced using GNUPLOT 5.2 patch level 2. 2022-11-18T00:00:00Z Dataset Dataset 10.82444/warw.33847888.v1 https://figshare.com/articles/dataset/Data_for_Kinetic_control_of_competing_nuclei_in_a_dimer_lattice-gas_model/33847888 CC BY 4.0